Geometry & MOs

Info

ID:	227735
PubChem CID:	87562358
Reduced:	F3N3O4C16H18 (1)
Stoich.:	A3B3C4D16E18 (1)
Weight, g/mol:	128.004434
ΔH_f, kcal/mol:	-217.6
Dipole, Da:	5.91
IP(EA), eV:	-8.92(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dihydro-1,2-oxazol-3-yl thiocyanate

Drug info:

PubChemData

Smile

CN(C(=O)C1C(=O)C(=CNN1C2=CC=CC(=C2)C(F)(F)F)COC)OC

DOS

IR

Vibrations